1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone
TL;DR: 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone (CAS 97900-38-4) is a chemical compound with molecular formula C13H16N4O and molecular weight 244.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-4-yl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanone
Also Known As: BAS 01123225, 1,3,5-triazaadamantan-7-yl(pyridin-4-yl)methanone, (1s,3s,5s)-1,3,5-triazaadamantan-7-yl(pyridin-4-yl)methanone, pyridin-4-yl(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone, Pyridin-4-yl-(1,3,5-triaza-tricyclo[3.3.1.1*3,7*]dec-7-yl)-methanone
| Molecular Formula | C13H16N4O |
|---|---|
| Molecular Weight | 244.13 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.13242 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 97900-38-4 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)C(=O)C4=CC=NC=C4 |
| InChIKey | NTZKQWOJFPDJLD-UHFFFAOYSA-N |
Product Overview
1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone (CAS 97900-38-4), with molecular formula C13H16N4O and molecular weight 244.13 g/mol. IUPAC: pyridin-4-yl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanone.
Chemical Property Profile of 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone
Property Insights of 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone. With a topological polar surface area (TPSA) of 39.7 Ų, 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone?
The CAS number of 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone is 97900-38-4.
What is the molecular formula of 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone?
The molecular formula of 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone is C13H16N4O.
What is the molecular weight of 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone?
The molecular weight of 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone is 244.13 g/mol.
Where can I buy 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone?
You can request a quote for 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.